10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene

C23H20N2 — CID 143163436

IUPAC10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene
SMILESCc1c2c(nc3c1CCc1c-3nc3ccccc3c1C)C=CCC=C2
InChIInChI=1S/C23H20N2/c1-14-16-8-4-3-5-10-20(16)24-22-18(14)12-13-19-15(2)17-9-6-7-11-21(17)25-23(19)22/h4-11H,3,12-13H2,1-2H3
InChIKeyJLZXKCSLGRHTKA-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.44
Rot. Bonds

About 10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene

10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene (PubChem CID 143163436) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene.

Molecular Properties

Compound Name10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene
PubChem CID143163436
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene
SMILESCc1c2c(nc3c1CCc1c-3nc3ccccc3c1C)C=CCC=C2
InChIInChI=1S/C23H20N2/c1-14-16-8-4-3-5-10-20(16)24-22-18(14)12-13-19-15(2)17-9-6-7-11-21(17)25-23(19)22/h4-11H,3,12-13H2,1-2H3
InChIKeyJLZXKCSLGRHTKA-UHFFFAOYSA-N
XLogP5.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene?
The IUPAC name of 10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene (CID 143163436) is 10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene.
What is the SMILES notation for 10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene?
The canonical SMILES for 10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene is Cc1c2c(nc3c1CCc1c-3nc3ccccc3c1C)C=CCC=C2.
What is the InChIKey of 10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene?
The InChIKey is JLZXKCSLGRHTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-14-16-8-4-3-5-10-20(16)24-22-18(14)12-13-19-15(2)17-9-6-7-11-21(17)25-23(19)22/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene?
10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene has a molecular weight of 324.43 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene is sourced from PubChem (CID 143163436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).